ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate

C26H21N3O4 — CID 69191709

IUPACethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2c(OCc3ccccc3)cncc2c1
InChIInChI=1S/C26H21N3O4/c1-2-31-26(30)25-24(21-10-11-27-15-23(21)33-25)29-19-8-9-20-18(12-19)13-28-14-22(20)32-16-17-6-4-3-5-7-17/h3-15,29H,2,16H2,1H3
InChIKeyOOYVZWALJPLOPL-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.88
Rot. Bonds7

About ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate

ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate (PubChem CID 69191709) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate
PubChem CID69191709
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Nameethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnccc2c1Nc1ccc2c(OCc3ccccc3)cncc2c1
InChIInChI=1S/C26H21N3O4/c1-2-31-26(30)25-24(21-10-11-27-15-23(21)33-25)29-19-8-9-20-18(12-19)13-28-14-22(20)32-16-17-6-4-3-5-7-17/h3-15,29H,2,16H2,1H3
InChIKeyOOYVZWALJPLOPL-UHFFFAOYSA-N
XLogP5.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate with MolForge

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Related Compounds

3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylic acid
CID 141171288
ethyl 3-(naphthalen-1-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 58826947
ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 90807936
ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636254
ethane;1-[3-(isoquinolin-6-ylamino)furo[2,3-c]pyridin-2-yl]-2-methylbutan-1-one;propane
CID 143422123
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol
CID 143638319
ethyl 2-(3-hydroxyanilino)-4-(phenylmethoxyamino)pyrimidine-5-carboxylate
CID 22060720
methyl 3-(isoquinolin-5-yloxymethyl)benzoate
CID 86198965
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 1-chloro-2,6-naphthyridine-3-carboxylate
CID 166806607

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate (CID 69191709) is ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(OCc3ccccc3)cncc2c1.
What is the InChIKey of ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
The InChIKey is OOYVZWALJPLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-2-31-26(30)25-24(21-10-11-27-15-23(21)33-25)29-19-8-9-20-18(12-19)13-28-14-22(20)32-16-17-6-4-3-5-7-17/h3-15,29H,2,16H2,1H3.
What are the key properties of ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate?
ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate has a molecular weight of 439.47 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 69191709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).